| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 30 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.66 | 9.12 | -81.01 | 1 | 7 | 0 | 87 | 413.449 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | 8.93 | -58.07 | 1 | 7 | 1 | 81 | 414.457 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.75 | -58.51 | 2 | 7 | 1 | 84 | 414.457 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.07 | 9.19 | -112.99 | 2 | 7 | 2 | 82 | 415.465 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.66 | 8.53 | -100.46 | 3 | 7 | 2 | 85 | 415.465 | 8 | ↓ |
